Theoretical Elucidation of β-O-4 Bond Cleavage of Lignin Model Compound Promoted by Sulfonic Acid-Functionalized Ionic Liquid

Theoretical Elucidation of β-O-4 Bond Cleavage of Lignin Model Compound Promoted by Sulfonic Acid-Functionalized Ionic Liquid

While the depolymerization of lignin to chemicals catalyzed by ionic liquids has attracted significant attention, the relevant molecular mechanism, especially the cleavage of specific bonds related to efficient depolymerization, still needs to be deeply understood for the complexity of this natural...

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Bibliographic Details
Main Authors: Yaqin Zhang, Feng Huo, Yanlei Wang, Yu Xia, Xin Tan, Suojiang Zhang, Hongyan He
Format: Article
Language:English
Published: Frontiers Media S.A. 2019-02-01
Series:Frontiers in Chemistry
Subjects:
lignin
ionic liquid
DFT
molecular dynamics
β-O-4 bond
reaction mechanism
Online Access:https://www.frontiersin.org/article/10.3389/fchem.2019.00078/full

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